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Information card for entry 4322439
Preview
| Coordinates | 4322439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H92 Cl4 N5 O2 Re6 S8 |
|---|---|
| Calculated formula | C46 H10 Cl4 N6 O2 Re6 S8 |
| SMILES | O.[S]12[Re]345678([S]9[Re]%10%11%12%1316([S]1[Re]6%14%15%16%17%11([S]%11[Re]%18%19%205%15([S]3[Re]27%12%16%19([S]%106)([S]%14%18)Cl)([S]4[Re]89%131%17%11%20Cl)Cl)[n]1ccccc1)Cl)[n]1ccccc1.C(CCC)[N+](CCCC)(CCCC)CCCC.CC#N.O.C(CCC)[N+](CCCC)(CCCC)CCCC.CC#N |
| Title of publication | Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands |
| Authors of publication | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 5557 - 5564 |
| a | 24.693 ± 0.008 Å |
| b | 19.464 ± 0.004 Å |
| c | 18.592 ± 0.004 Å |
| α | 90° |
| β | 115.76 ± 0.02° |
| γ | 90° |
| Cell volume | 8048 ± 4 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4322439.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322439.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322439.cif |
| 20711 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322439 via cif-deposit CGI script. |
4322439.cif |
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Users of the data should acknowledge the original authors of the
structural data.